5-Methoxy-2-methylbenzoic acid

CAT: 0024-sc-482418Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-482418Size:1 g

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CAS Number

3168-59-0

Chemical Information

5-Methoxy-2-methylbenzoic acid

CAS Number	3168-59-0
PubChem CID	263218
IUPAC Name	5-methoxy-2-methylbenzoic acid
Molecular Formula	C9H10O3
Molecular Weight	166.17
XLogP	1.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	167

SMILES

CC1=C(C=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C9H10O3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

OJDIEULKBFEZGD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3168-59-0

CID: 263218

Formula: C9H10O3

MW: 166.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	166.062994177
Monoisotopic Mass	166.062994177
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-230464	2-Methoxy-5-methylbenzoic acid
sc-265481	2-Bromo-5-methoxy-3-methylbenzoic acid
sc-232811	4-Methoxy-2-methylbenzoic acid
sc-230459	2-Methoxy-4-methylbenzoic acid
sc-266718	3-Methoxy-2-methylbenzoic acid
sc-483790	3-Methoxy-2-methylbenzoic Acid 2- (3-methoxy-5-methylbenzoyl) -2- (1,1-dimethylethyl) hydrazide
sc-284287	4-Methoxy-3-methylbenzoic acid
sc-284287A	4-Methoxy-3-methylbenzoic acid
sc-231791	3-Methoxy-4-methylbenzoic acid
sc-230312	2-Fluoro-5-methylbenzoic acid

Catalog	Name
FM139661-01	5-Methoxy-2-methylbenzoic acid
OR917839-01	2-Methoxy-5-methylbenzoic acid
426269-01	3-methoxy-5-methylbenzoic acid
PC1011141-01	4-Fluoro-5-methoxy-2-methylbenzoic acid
PC1011140-01	5-Fluoro-2-methoxy-3-methylbenzoic acid
OR1090114-01	3- (benzyloxy) -2-methoxy-5-methylbenzoic acid
OR1087638-01	2-Ethoxy-4-methoxy-5-methylbenzoic acid
OR1099238-01	5-bromo-2-methoxy-3-methylbenzoic acid
OR1085570-01	5-Chloro-3-methoxy-2-methylbenzoic acid
OR1083308	3-Bromo-5-methoxy-2-methylbenzoic acid